2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C8H12FN7 — CID 145281967

IUPAC2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCN1NN(F)N=C1c1nc2c(n1C)CNC2
InChIInChI=1S/C8H12FN7/c1-14-6-4-10-3-5(6)11-7(14)8-12-16(9)13-15(8)2/h10,13H,3-4H2,1-2H3
InChIKeyGOOZKTBVAHGKPA-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.76
Rot. Bonds1

About 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 145281967) has the molecular formula C8H12FN7 and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID145281967
Molecular FormulaC8H12FN7
Molecular Weight225.23 g/mol
Exact Mass225.11
IUPAC Name2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCN1NN(F)N=C1c1nc2c(n1C)CNC2
InChIInChI=1S/C8H12FN7/c1-14-6-4-10-3-5(6)11-7(14)8-12-16(9)13-15(8)2/h10,13H,3-4H2,1-2H3
InChIKeyGOOZKTBVAHGKPA-UHFFFAOYSA-N
XLogP-0.76
TPSA60.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 145281967) is 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is CN1NN(F)N=C1c1nc2c(n1C)CNC2.
What is the InChIKey of 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is GOOZKTBVAHGKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN7/c1-14-6-4-10-3-5(6)11-7(14)8-12-16(9)13-15(8)2/h10,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 225.23 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methyl-2H-tetrazol-5-yl)-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 145281967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).